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SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc4CCCCc4s3)c12)[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=XBKPVMNAHXZYQC-SAABIXHNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267478   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267478 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc4CCCCc4s3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,(-3.78,-.38,;-3.78,-1.92,;-5.11,-2.69,;-5.11,-4.23,;-3.78,-5,;-2.44,-4.23,;-.98,-4.7,;-.07,-3.46,;-.98,-2.21,;-.58,-.72,;.91,-.33,;1.31,1.16,;.22,2.25,;-1.27,1.85,;-1.67,.36,;.62,3.74,;-.47,4.83,;2.1,4.14,;2.5,5.62,;3.97,6.1,;3.97,7.64,;5.11,8.67,;4.79,10.18,;3.33,10.65,;2.18,9.62,;2.5,8.12,;1.6,6.87,;-2.44,-2.69,;-.58,-6.19,;.91,-6.59,;1.31,-8.08,;.22,-9.17,;.62,-10.65,;-1.27,-8.77,;-1.67,-7.28,)| Show InChI InChI=1S/C26H28N6O2S/c27-23-22-21(30-24(32(22)14-13-28-23)16-9-11-18(33)12-10-16)15-5-7-17(8-6-15)25(34)31-26-29-19-3-1-2-4-20(19)35-26/h5-8,13-14,16,18,33H,1-4,9-12H2,(H2,27,28)(H,29,31,34)/t16-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair